Compound Detail
CHEMBL4226142
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CCn1nc(C2CC2)cc1Nc1nc(C(=O)NCCCCCCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Basic Information
| ChEMBL ID | CHEMBL4226142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPFSVCFXZLONQL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
812.9
MW (Da)
6.52
ALogP
12
HBA
4
HBD
202.3
PSA (Ų)
0.06
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.43
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RS4-11 | IC50 | = | 0.037 | nM | 10.43 | Cytotoxicity against human RS4:11 cells assessed as cell growth inhibition after... | 28339196 |
| MOLM-13 | IC50 | = | 1.0 | nM | 9.0 | Cytotoxicity against human MOLM13 cells assessed as cell growth inhibition after... | 28339196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28339196 | 10.1021/acs.jmedchem.6b01816 | RS4-11 | 1 |
| 28339196 | 10.1021/acs.jmedchem.6b01816 | MOLM-13 | 1 |
| 28339196 | 10.1021/acs.jmedchem.6b01816 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 2 | 1 |
| 28339196 | 10.1021/acs.jmedchem.6b01816 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 3 | 1 |
| 28339196 | 10.1021/acs.jmedchem.6b01816 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine